(2R)-2-[(5-chloro-1-methyl-3-propan-2-ylpyrazole-4-carbonyl)amino]propanoic acid

C11H16ClN3O3 — CID 91659593

IUPAC(2R)-2-[(5-chloro-1-methyl-3-propan-2-ylpyrazole-4-carbonyl)amino]propanoic acid
SMILESCC(C)c1nn(C)c(Cl)c1C(=O)N[C@H](C)C(=O)O
InChIInChI=1S/C11H16ClN3O3/c1-5(2)8-7(9(12)15(4)14-8)10(16)13-6(3)11(17)18/h5-6H,1-4H3,(H,13,16)(H,17,18)/t6-/m1/s1
InChIKeyRCDJYEKPOZCXDX-ZCFIWIBFSA-N
MW273.72 g/mol
LogP1.40
Rot. Bonds4

About (2R)-2-[(5-chloro-1-methyl-3-propan-2-ylpyrazole-4-carbonyl)amino]propanoic acid

(2R)-2-[(5-chloro-1-methyl-3-propan-2-ylpyrazole-4-carbonyl)amino]propanoic acid (PubChem CID 91659593) has the molecular formula C11H16ClN3O3 and a molecular weight of 273.72 g/mol. Its IUPAC name is (2R)-2-[(5-chloro-1-methyl-3-propan-2-ylpyrazole-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(5-chloro-1-methyl-3-propan-2-ylpyrazole-4-carbonyl)amino]propanoic acid
PubChem CID91659593
Molecular FormulaC11H16ClN3O3
Molecular Weight273.72 g/mol
Exact Mass273.09
IUPAC Name(2R)-2-[(5-chloro-1-methyl-3-propan-2-ylpyrazole-4-carbonyl)amino]propanoic acid
SMILESCC(C)c1nn(C)c(Cl)c1C(=O)N[C@H](C)C(=O)O
InChIInChI=1S/C11H16ClN3O3/c1-5(2)8-7(9(12)15(4)14-8)10(16)13-6(3)11(17)18/h5-6H,1-4H3,(H,13,16)(H,17,18)/t6-/m1/s1
InChIKeyRCDJYEKPOZCXDX-ZCFIWIBFSA-N
XLogP1.40
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-chloro-1-methyl-3-propan-2-ylpyrazole-4-carbonyl)amino]propanoic acid?
The IUPAC name of (2R)-2-[(5-chloro-1-methyl-3-propan-2-ylpyrazole-4-carbonyl)amino]propanoic acid (CID 91659593) is (2R)-2-[(5-chloro-1-methyl-3-propan-2-ylpyrazole-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2R)-2-[(5-chloro-1-methyl-3-propan-2-ylpyrazole-4-carbonyl)amino]propanoic acid?
The canonical SMILES for (2R)-2-[(5-chloro-1-methyl-3-propan-2-ylpyrazole-4-carbonyl)amino]propanoic acid is CC(C)c1nn(C)c(Cl)c1C(=O)N[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-[(5-chloro-1-methyl-3-propan-2-ylpyrazole-4-carbonyl)amino]propanoic acid?
The InChIKey is RCDJYEKPOZCXDX-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H16ClN3O3/c1-5(2)8-7(9(12)15(4)14-8)10(16)13-6(3)11(17)18/h5-6H,1-4H3,(H,13,16)(H,17,18)/t6-/m1/s1.
What are the key properties of (2R)-2-[(5-chloro-1-methyl-3-propan-2-ylpyrazole-4-carbonyl)amino]propanoic acid?
(2R)-2-[(5-chloro-1-methyl-3-propan-2-ylpyrazole-4-carbonyl)amino]propanoic acid has a molecular weight of 273.72 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-chloro-1-methyl-3-propan-2-ylpyrazole-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 91659593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).